#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy n LYS 3 N 0.00 0.22 -1.86 0.54 5.02 -1.26 -4.80 118.16 116.01 3huy n LYS 3 Ca 0.00 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 3huy n LYS 3 Cb 0.00 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 3huy n LYS 3 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3huy s LYS 4 N 3.62 4.16 -0.10 1.97 2.47 -1.26 -4.75 119.74 125.84 3huy s LYS 4 Ca 1.06 2.50 0.01 0.00 -1.56 0.00 0.00 55.97 57.98 3huy s LYS 4 Cb -1.41 -3.00 0.02 0.00 -1.46 0.00 0.00 37.83 31.98 3huy s LYS 4 CO 0.76 -0.48 -0.10 0.08 0.16 0.00 0.00 175.35 175.77 3huy s VAL 5 N -0.93 1.17 0.43 4.02 1.01 -1.26 -0.26 120.40 124.58 3huy s VAL 5 Ca 0.54 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.16 3huy s VAL 5 Cb -0.45 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3huy s VAL 5 CO 0.59 0.38 0.02 -0.76 0.00 0.00 0.00 175.10 175.33 3huy s LEU 6 N 1.31 2.78 -0.05 3.92 1.02 0.31 -4.95 118.68 123.02 3huy s LEU 6 Ca -0.02 -1.41 -0.01 0.00 0.02 0.00 0.00 54.13 52.71 3huy s LEU 6 Cb -0.14 -0.90 0.03 0.00 0.02 0.00 0.00 46.19 45.20 3huy s LEU 6 CO -0.04 -0.54 0.03 0.42 0.02 0.00 0.00 176.35 176.23 3huy s THR 7 N -2.74 0.13 0.13 5.49 -4.23 -1.26 0.43 115.64 113.60 3huy s THR 7 Ca 0.29 0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 3huy s THR 7 Cb 0.08 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.61 3huy s THR 7 CO 0.15 0.20 0.19 0.61 -0.54 0.00 0.00 174.62 175.23 3huy n GLY 8 N 4.98 2.71 3.84 3.99 0.00 -0.71 -4.40 105.19 115.60 3huy n GLY 8 Ca -0.10 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 3huy n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 9 N -2.58 5.31 -0.82 1.61 1.01 -0.58 -0.98 120.40 123.38 3huy s VAL 9 Ca 0.11 0.47 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 3huy s VAL 9 Cb -0.00 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.92 3huy s VAL 9 CO 0.08 0.57 1.15 -0.69 0.00 0.00 0.00 175.10 176.21 3huy s VAL 10 N -0.80 4.28 -0.69 2.92 1.01 0.12 -0.44 120.40 126.80 3huy s VAL 10 Ca 0.18 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.57 3huy s VAL 10 Cb -0.14 -4.82 0.55 0.00 0.00 0.00 0.00 36.38 31.98 3huy s VAL 10 CO 0.07 -1.62 1.37 1.33 0.00 0.00 0.00 175.10 176.25 3huy n VAL 11 N 6.04 1.75 0.00 2.92 0.24 -0.57 -0.90 118.33 127.82 3huy n VAL 11 Ca 0.12 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 3huy n VAL 11 Cb 0.48 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3huy n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3huy n SER 12 N 0.51 0.00 0.00 -1.34 2.88 -1.22 -4.94 113.62 109.51 3huy n SER 12 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3huy n SER 12 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 3huy n SER 12 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3huy n ASP 13 N 0.00 0.00 0.00 -3.46 5.68 -1.26 -0.54 116.55 116.97 3huy n ASP 13 Ca 0.00 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 3huy n ASP 13 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3huy n ASP 13 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3huy n LYS 14 N 0.00 0.00 -3.96 0.11 4.01 -1.26 -4.46 118.16 112.60 3huy n LYS 14 Ca 0.00 0.22 -0.24 0.00 -0.51 0.00 0.00 58.31 57.78 3huy n LYS 14 Cb 0.39 -1.74 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 3huy n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3huy s MET 15 N -2.40 3.43 0.07 1.97 -1.94 -1.26 -5.05 119.30 114.12 3huy s MET 15 Ca 0.00 -0.66 -0.31 0.00 -1.71 0.00 0.00 55.69 53.02 3huy s MET 15 Cb 0.00 -2.93 -0.07 0.00 2.01 0.00 0.00 34.83 33.84 3huy s MET 15 CO 0.00 0.49 1.36 -0.65 -0.01 0.00 0.00 175.02 176.21 3huy s GLN 16 N -3.48 4.33 -1.24 2.03 -0.21 -1.26 -3.05 119.66 116.78 3huy s GLN 16 Ca 0.34 1.99 -0.04 0.00 0.02 0.00 0.00 55.36 57.67 3huy s GLN 16 Cb -0.10 -3.35 0.03 0.00 1.00 0.00 0.00 33.01 30.58 3huy s GLN 16 CO 0.29 -0.44 0.27 1.63 -2.12 0.00 0.00 175.29 174.91 3huy n LYS 17 N 4.32 -3.02 -3.88 2.91 5.02 -1.26 -4.94 118.16 117.31 3huy n LYS 17 Ca 0.11 0.61 -0.11 0.00 -2.02 0.00 0.00 58.31 56.91 3huy n LYS 17 Cb 0.43 -5.29 -0.10 0.00 -0.02 0.00 0.00 35.03 30.05 3huy n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3huy s THR 18 N -2.83 0.08 0.01 -0.18 2.01 -1.17 -0.60 115.64 112.96 3huy s THR 18 Ca 0.19 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3huy s THR 18 Cb -0.10 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3huy s THR 18 CO 0.23 -0.34 -0.08 0.68 -0.69 0.00 0.00 174.62 174.43 3huy s VAL 19 N -1.18 0.59 -0.29 3.82 -7.23 0.05 -4.27 120.40 111.88 3huy s VAL 19 Ca -0.13 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 3huy s VAL 19 Cb -0.07 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.32 3huy s VAL 19 CO 0.01 0.05 0.53 -0.89 -0.31 0.00 0.00 175.10 174.49 3huy s THR 20 N -0.43 5.03 -0.10 5.32 2.01 0.30 0.17 115.64 127.93 3huy s THR 20 Ca 0.00 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 3huy s THR 20 Cb -0.04 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 3huy s THR 20 CO -0.00 -0.04 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.03 3huy s VAL 21 N 2.39 2.66 -0.26 3.82 1.01 0.21 -1.51 120.40 128.72 3huy s VAL 21 Ca 0.21 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3huy s VAL 21 Cb -0.15 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3huy s VAL 21 CO 0.11 0.55 0.18 -0.22 0.00 0.00 0.00 175.10 175.72 3huy s LEU 22 N 0.12 4.07 -0.24 3.92 2.96 0.42 -0.35 118.68 129.57 3huy s LEU 22 Ca -0.09 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3huy s LEU 22 Cb -0.15 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.41 3huy s LEU 22 CO 0.06 0.00 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 3huy s VAL 23 N 1.43 3.43 0.36 1.68 1.01 -0.87 -1.52 120.40 125.92 3huy s VAL 23 Ca 0.08 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 3huy s VAL 23 Cb -0.15 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 3huy s VAL 23 CO 0.08 0.29 1.03 -1.61 0.00 0.00 0.00 175.10 174.89 3huy s GLU 24 N 1.45 4.35 -0.13 2.72 2.02 -1.26 -2.36 118.70 125.50 3huy s GLU 24 Ca 0.04 1.51 -0.07 0.00 0.02 0.00 0.00 54.97 56.47 3huy s GLU 24 Cb -0.15 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.41 3huy s GLU 24 CO -0.02 0.03 0.31 0.50 0.02 0.00 0.00 175.26 176.10 3huy s ARG 25 N -2.21 0.28 0.10 1.61 3.52 0.15 -4.95 118.95 117.45 3huy s ARG 25 Ca 0.54 0.62 0.07 0.00 -0.13 0.00 0.00 55.73 56.83 3huy s ARG 25 Cb -0.23 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.06 3huy s ARG 25 CO 0.29 -0.16 -0.17 1.14 -0.81 0.00 0.00 175.30 175.59 3huy s GLN 26 N 1.27 1.03 0.32 5.12 -2.07 -1.26 0.12 119.66 124.19 3huy s GLN 26 Ca -0.09 -1.14 -0.11 0.00 -1.82 0.00 0.00 55.36 52.20 3huy s GLN 26 Cb -0.09 -1.13 0.02 0.00 -1.09 0.00 0.00 33.01 30.71 3huy s GLN 26 CO -0.10 0.25 0.59 -0.59 -1.32 0.00 0.00 175.29 174.12 3huy s PHE 27 N -1.46 0.46 0.05 9.60 -0.12 -0.88 -4.93 117.98 120.70 3huy s PHE 27 Ca 0.05 -0.87 -0.29 0.00 -0.05 0.00 0.00 56.93 55.77 3huy s PHE 27 Cb -0.09 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 3huy s PHE 27 CO 0.04 -1.22 0.93 -2.14 -0.05 0.00 0.00 175.22 172.77 3huy s PRO 28 N -3.24 4.61 -0.36 1.99 0.02 -1.26 -0.56 135.00 136.20 3huy s PRO 28 Ca 0.22 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 3huy s PRO 28 Cb -0.02 -3.41 0.01 0.00 0.02 0.00 0.00 34.50 31.09 3huy s PRO 28 CO 0.13 0.12 1.33 -1.58 -0.33 0.00 0.00 177.00 176.67 3huy s HIS 29 N 0.40 2.59 0.00 6.54 2.46 0.12 -4.85 115.29 122.54 3huy s HIS 29 Ca 0.47 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.78 3huy s HIS 29 Cb -0.22 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.13 3huy s HIS 29 CO 0.28 -1.78 0.20 -0.35 -2.47 0.00 0.00 174.74 170.62 3huy n PRO 30 N 7.64 0.00 0.00 2.88 -0.04 -1.26 -1.37 135.00 142.85 3huy n PRO 30 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3huy n PRO 30 Cb 0.47 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3huy n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3huy n LEU 31 N 2.19 0.00 -0.89 1.53 7.94 -1.26 -4.97 117.00 121.53 3huy n LEU 31 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3huy n LEU 31 Cb 0.00 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.11 3huy n LEU 31 CO 0.10 0.00 0.28 -1.22 -1.11 0.00 0.00 177.39 175.44 3huy n TYR 32 N 0.00 0.12 0.00 1.96 0.53 -0.47 -5.02 117.16 114.28 3huy n TYR 32 Ca 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 57.90 55.58 3huy n TYR 32 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 39.34 38.08 3huy n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3huy n GLY 33 N -0.72 0.00 1.85 2.72 0.00 -0.71 -4.78 105.19 103.54 3huy n GLY 33 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3huy n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huy n LYS 34 N 0.00 0.00 -3.34 1.61 4.81 -1.26 -3.48 118.16 116.50 3huy n LYS 34 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 3huy n LYS 34 Cb 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 35.03 34.41 3huy n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3huy s VAL 35 N -1.16 5.15 -0.02 3.15 1.01 -1.26 0.11 120.40 127.38 3huy s VAL 35 Ca 0.30 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.25 3huy s VAL 35 Cb -0.24 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3huy s VAL 35 CO 0.41 0.37 -0.06 0.27 0.00 0.00 0.00 175.10 176.09 3huy s ILE 36 N 0.32 0.52 0.30 2.22 -4.36 0.27 -4.93 121.20 115.55 3huy s ILE 36 Ca 0.26 -0.23 -0.27 0.00 -0.26 0.00 0.00 60.65 60.15 3huy s ILE 36 Cb -0.15 -0.47 -0.10 0.00 1.25 0.00 0.00 42.46 42.98 3huy s ILE 36 CO 0.11 0.17 0.94 -0.54 0.24 0.00 0.00 174.94 175.86 3huy s LYS 37 N 0.18 4.64 -0.15 0.37 1.02 -1.26 -2.07 119.74 122.47 3huy s LYS 37 Ca -0.02 1.35 -0.08 0.00 0.02 0.00 0.00 55.97 57.25 3huy s LYS 37 Cb -0.06 -2.90 0.06 0.00 -0.52 0.00 0.00 37.83 34.40 3huy s LYS 37 CO -0.00 0.33 0.35 0.50 -0.92 0.00 0.00 175.35 175.61 3huy s ARG 38 N -1.87 0.31 0.58 1.68 6.06 0.32 -4.97 118.95 121.07 3huy s ARG 38 Ca 0.48 0.72 0.07 0.00 -2.50 0.00 0.00 55.73 54.50 3huy s ARG 38 Cb -0.20 -0.03 0.07 0.00 0.06 0.00 0.00 34.95 34.85 3huy s ARG 38 CO 0.25 -0.17 0.59 -1.54 -2.50 0.00 0.00 175.30 171.93 3huy s SER 39 N 1.50 4.78 -0.30 -2.12 1.04 -1.26 0.31 113.70 117.65 3huy s SER 39 Ca -0.08 -1.14 -0.17 0.00 0.48 0.00 0.00 55.95 55.03 3huy s SER 39 Cb -0.09 0.52 0.19 0.00 0.10 0.00 0.00 66.02 66.73 3huy s SER 39 CO -0.11 -1.29 1.18 -0.75 0.98 0.00 0.00 173.24 173.25 3huy s LYS 40 N -4.49 0.13 0.01 4.02 2.20 -0.99 -4.93 119.74 115.69 3huy s LYS 40 Ca 0.45 0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 56.16 3huy s LYS 40 Cb -0.04 0.12 -0.06 0.00 -1.51 0.00 0.00 37.83 36.35 3huy s LYS 40 CO 0.29 -0.04 0.56 0.15 -0.36 0.00 0.00 175.35 175.95 3huy s LYS 41 N 1.74 4.25 0.08 4.03 1.02 -1.26 -2.04 119.74 127.56 3huy s LYS 41 Ca -0.04 0.68 0.09 0.00 0.02 0.00 0.00 55.97 56.72 3huy s LYS 41 Cb -0.03 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3huy s LYS 41 CO -0.14 0.46 -0.23 0.71 -0.92 0.00 0.00 175.35 175.23 3huy s TYR 42 N -0.46 1.96 -0.45 3.18 1.51 0.52 -4.95 117.35 118.66 3huy s TYR 42 Ca 0.29 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.83 3huy s TYR 42 Cb -0.18 -1.11 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 3huy s TYR 42 CO 0.17 0.19 0.34 -0.51 -1.11 0.00 0.00 175.55 174.63 3huy s LEU 43 N -1.65 5.44 0.49 -1.29 1.43 -1.26 0.65 118.68 122.49 3huy s LEU 43 Ca 0.09 -1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 3huy s LEU 43 Cb -0.10 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.95 3huy s LEU 43 CO 0.04 -0.61 0.94 0.00 0.23 0.00 0.00 176.35 176.95 3huy s ALA 44 N 1.55 3.13 -0.39 4.21 0.00 0.44 -4.24 121.76 126.45 3huy s ALA 44 Ca 0.04 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 3huy s ALA 44 Cb -0.24 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3huy s ALA 44 CO 0.05 -0.17 0.45 -1.58 0.00 0.00 0.00 175.76 174.51 3huy s HIS 45 N -2.55 3.17 -0.72 0.00 2.46 0.81 -0.77 115.29 117.69 3huy s HIS 45 Ca 0.57 -0.16 0.05 0.00 0.47 0.00 0.00 55.06 55.99 3huy s HIS 45 Cb -0.10 -2.89 0.17 0.00 -0.13 0.00 0.00 32.58 29.63 3huy s HIS 45 CO 0.31 -0.62 0.52 -3.47 -2.47 0.00 0.00 174.74 169.00 3huy n ASP 46 N 5.64 3.11 0.22 9.88 4.64 0.23 -2.82 116.55 137.45 3huy n ASP 46 Ca -0.07 -3.22 0.05 0.00 -1.38 0.00 0.00 54.79 50.18 3huy n ASP 46 Cb 0.48 -0.77 0.50 0.00 -1.04 0.00 0.00 41.12 40.29 3huy n ASP 46 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3huy h PRO 47 N 5.38 0.00 -0.34 -0.67 0.13 -1.95 -2.69 132.00 131.86 3huy h PRO 47 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3huy h PRO 47 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3huy h PRO 47 CO 0.73 0.20 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 3huy n GLU 48 N -4.25 1.81 -3.77 0.86 1.02 -1.26 -4.92 120.64 110.15 3huy n GLU 48 Ca -0.02 -1.27 -0.23 0.00 -0.02 0.00 0.00 57.16 55.62 3huy n GLU 48 Cb 0.26 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 3huy n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3huy n GLU 49 N 0.53 -0.65 0.00 3.49 1.02 -1.01 -4.83 120.64 119.18 3huy n GLU 49 Ca 0.12 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3huy n GLU 49 Cb 0.30 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3huy n GLU 49 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3huy n LYS 50 N -2.82 4.88 -3.63 3.49 2.85 -1.26 -4.99 118.16 116.68 3huy n LYS 50 Ca -0.08 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.80 3huy n LYS 50 Cb 0.31 -0.60 -0.11 0.00 -0.65 0.00 0.00 35.03 33.98 3huy n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3huy s TYR 51 N -1.19 3.20 0.50 5.58 1.51 -1.26 -5.08 117.35 120.62 3huy s TYR 51 Ca 0.00 0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.17 3huy s TYR 51 Cb 0.00 -2.34 0.07 0.00 -0.11 0.00 0.00 41.96 39.58 3huy s TYR 51 CO 0.00 -0.17 0.59 0.36 -1.11 0.00 0.00 175.55 175.22 3huy n LYS 52 N 4.96 0.69 -1.92 -0.62 0.00 -1.26 -4.98 118.16 115.04 3huy n LYS 52 Ca -0.14 -2.85 -0.40 0.00 -0.00 0.00 0.00 58.31 54.92 3huy n LYS 52 Cb 0.52 -0.03 0.01 0.00 -0.00 0.00 0.00 35.03 35.53 3huy n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3huy s LEU 53 N 0.00 4.14 0.00 -5.58 0.20 -1.26 -2.99 118.68 113.19 3huy s LEU 53 Ca 0.45 2.79 0.00 0.00 0.69 0.00 0.00 54.13 58.06 3huy s LEU 53 Cb -0.04 -3.94 0.00 0.00 -0.43 0.00 0.00 46.19 41.79 3huy s LEU 53 CO 0.28 -1.05 0.00 0.61 -0.29 0.00 0.00 176.35 175.91 3huy n GLY 54 N 0.62 1.34 3.77 7.98 0.00 -0.07 -4.73 105.19 114.09 3huy n GLY 54 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3huy n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huy s ASP 55 N -2.90 6.78 -0.34 1.61 1.11 -1.16 -1.51 116.67 120.26 3huy s ASP 55 Ca 0.00 2.55 -0.12 0.00 0.18 0.00 0.00 52.55 55.16 3huy s ASP 55 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 3huy s ASP 55 CO 0.00 -0.51 0.22 -0.69 1.18 0.00 0.00 175.17 175.37 3huy s VAL 56 N -1.20 5.02 0.34 -1.27 1.01 -0.94 0.10 120.40 123.46 3huy s VAL 56 Ca 0.50 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3huy s VAL 56 Cb -0.37 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3huy s VAL 56 CO 0.48 -0.05 0.13 0.68 0.00 0.00 0.00 175.10 176.34 3huy s VAL 57 N 1.67 0.54 -0.10 2.92 -7.23 -0.16 -0.58 120.40 117.47 3huy s VAL 57 Ca 0.05 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 3huy s VAL 57 Cb -0.18 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 3huy s VAL 57 CO 0.09 0.00 0.00 -1.61 -0.31 0.00 0.00 175.10 173.27 3huy s GLU 58 N -3.80 3.10 -0.11 4.82 2.02 -1.00 -1.74 118.70 121.99 3huy s GLU 58 Ca 0.33 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.91 3huy s GLU 58 Cb 0.05 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 3huy s GLU 58 CO 0.16 0.64 -0.12 0.42 0.02 0.00 0.00 175.26 176.38 3huy s ILE 59 N -0.71 3.17 -0.13 -1.63 -1.09 0.17 0.59 121.20 121.55 3huy s ILE 59 Ca 0.11 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3huy s ILE 59 Cb -0.12 -2.31 -0.00 0.00 -1.58 0.00 0.00 42.46 38.45 3huy s ILE 59 CO 0.02 0.54 -0.17 -0.51 -1.23 0.00 0.00 174.94 173.60 3huy s ILE 60 N 0.03 2.63 -0.44 2.92 2.07 -0.49 -0.53 121.20 127.39 3huy s ILE 60 Ca -0.04 -0.80 -0.31 0.00 -1.41 0.00 0.00 60.65 58.09 3huy s ILE 60 Cb -0.14 -2.09 -0.10 0.00 0.13 0.00 0.00 42.46 40.26 3huy s ILE 60 CO 0.04 0.53 2.32 1.21 -1.91 0.00 0.00 174.94 177.13 3huy n GLU 61 N 3.78 1.09 -4.02 3.50 2.13 0.64 -1.50 120.64 126.26 3huy n GLU 61 Ca -0.19 0.22 -0.27 0.00 0.66 0.00 0.00 57.16 57.58 3huy n GLU 61 Cb 0.52 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 3huy n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3huy s SER 62 N 9.02 4.55 0.17 4.31 0.01 0.91 -4.70 113.70 127.98 3huy s SER 62 Ca 1.08 -1.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.75 3huy s SER 62 Cb -0.64 0.39 -0.08 0.00 0.21 0.00 0.00 66.02 65.91 3huy s SER 62 CO 0.41 -1.04 1.20 -0.60 0.41 0.00 0.00 173.24 173.61 3huy s ARG 63 N -4.21 4.48 -0.50 12.44 3.52 -1.26 -4.59 118.95 128.84 3huy s ARG 63 Ca 0.30 1.87 -0.47 0.00 -0.13 0.00 0.00 55.73 57.31 3huy s ARG 63 Cb -0.01 -3.25 -0.20 0.00 -1.56 0.00 0.00 34.95 29.93 3huy s ARG 63 CO 0.18 -0.11 1.68 -2.30 -0.81 0.00 0.00 175.30 173.94 3huy n PRO 64 N 2.64 0.00 0.00 5.12 -0.02 -1.26 -4.80 135.00 136.69 3huy n PRO 64 Ca 0.05 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.56 3huy n PRO 64 Cb 0.45 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.31 3huy n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3huy n ILE 65 N 4.35 0.81 -4.01 4.25 2.08 -0.43 -5.01 119.36 121.40 3huy n ILE 65 Ca 0.34 -0.65 0.03 0.00 0.56 0.00 0.00 62.75 63.04 3huy n ILE 65 Cb -0.06 -0.42 0.01 0.00 -0.75 0.00 0.00 39.64 38.43 3huy n ILE 65 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3huy n SER 66 N -2.65 -1.05 -4.71 4.38 3.41 -1.06 -5.03 113.62 106.91 3huy n SER 66 Ca -0.11 -1.16 -0.31 0.00 -0.26 0.00 0.00 58.87 57.03 3huy n SER 66 Cb 0.78 1.61 0.14 0.00 -0.26 0.00 0.00 64.21 66.49 3huy n SER 66 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3huy s LYS 67 N -2.01 1.43 0.00 4.33 2.20 -1.26 -2.34 119.74 122.10 3huy s LYS 67 Ca 0.29 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 3huy s LYS 67 Cb -0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 3huy s LYS 67 CO -0.01 -2.26 0.00 -2.13 -0.36 0.00 0.00 175.35 170.58 3huy n ARG 68 N -3.96 -0.73 -3.46 4.03 3.00 -1.26 -4.81 116.66 109.47 3huy n ARG 68 Ca 0.10 0.11 -0.26 0.00 -0.00 0.00 0.00 57.85 57.80 3huy n ARG 68 Cb 0.53 -3.38 -0.12 0.00 0.00 0.00 0.00 32.46 29.49 3huy n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3huy s LYS 69 N -0.80 0.43 -0.14 -0.14 2.20 -0.99 -4.21 119.74 116.10 3huy s LYS 69 Ca 0.00 -0.88 0.18 0.00 -0.36 0.00 0.00 55.97 54.91 3huy s LYS 69 Cb 0.00 -1.08 0.30 0.00 -1.51 0.00 0.00 37.83 35.54 3huy s LYS 69 CO 0.00 -1.13 1.16 0.54 -0.36 0.00 0.00 175.35 175.55 3huy n ARG 70 N 4.57 1.30 -4.35 4.03 3.00 -1.26 -1.31 116.66 122.63 3huy n ARG 70 Ca 0.05 -2.63 -0.19 0.00 -0.01 0.00 0.00 57.85 55.07 3huy n ARG 70 Cb 0.41 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.23 3huy n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3huy s PHE 71 N -2.89 1.01 -0.06 -1.55 0.08 -1.26 -0.06 117.98 113.25 3huy s PHE 71 Ca 0.32 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.08 3huy s PHE 71 Cb 0.29 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 3huy s PHE 71 CO 0.02 -0.00 0.01 1.03 -0.10 0.00 0.00 175.22 176.18 3huy s ARG 72 N -0.76 2.95 0.22 0.44 0.52 -0.56 -0.13 118.95 121.62 3huy s ARG 72 Ca 0.01 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 3huy s ARG 72 Cb -0.06 -2.78 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 3huy s ARG 72 CO 0.00 0.68 1.45 0.08 0.02 0.00 0.00 175.30 177.54 3huy s VAL 73 N -0.96 2.74 -0.14 3.52 1.01 -1.13 -1.39 120.40 124.05 3huy s VAL 73 Ca 0.15 0.59 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 3huy s VAL 73 Cb -0.11 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3huy s VAL 73 CO 0.05 0.08 -0.17 -0.11 0.00 0.00 0.00 175.10 174.96 3huy n LEU 74 N 2.81 1.81 -3.62 3.92 0.00 0.20 -4.87 117.00 117.25 3huy n LEU 74 Ca 0.08 0.63 -0.05 0.00 0.00 0.00 0.00 56.01 56.67 3huy n LEU 74 Cb 0.40 -0.88 -0.05 0.00 0.00 0.00 0.00 43.42 42.90 3huy n LEU 74 CO 0.60 -0.45 1.00 0.00 0.00 0.00 0.00 177.39 178.55 3huy s ARG 75 N -2.25 0.28 0.46 1.96 1.70 -1.25 -4.99 118.95 114.86 3huy s ARG 75 Ca -0.15 0.07 -0.23 0.00 -0.47 0.00 0.00 55.73 54.95 3huy s ARG 75 Cb 0.02 0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 3huy s ARG 75 CO 0.23 -0.09 1.15 -1.17 -1.08 0.00 0.00 175.30 174.35 3huy s LEU 76 N -1.03 4.00 -0.40 -1.89 2.96 -1.26 -2.37 118.68 118.69 3huy s LEU 76 Ca 0.05 2.27 0.10 0.00 -0.22 0.00 0.00 54.13 56.32 3huy s LEU 76 Cb -0.01 -4.27 0.32 0.00 0.50 0.00 0.00 46.19 42.73 3huy s LEU 76 CO -0.04 -0.90 0.68 0.52 -1.32 0.00 0.00 176.35 175.29 3huy n VAL 77 N -0.52 -0.04 -0.03 1.68 0.31 0.26 -4.93 118.33 115.06 3huy n VAL 77 Ca 0.07 -4.50 0.00 0.00 -0.01 0.00 0.00 64.34 59.90 3huy n VAL 77 Cb 0.48 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3huy n VAL 77 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3huy n GLU 78 N 0.60 0.00 -3.27 5.55 0.28 -1.26 -4.67 120.64 117.88 3huy n GLU 78 Ca 0.24 0.03 -0.18 0.00 -0.16 0.00 0.00 57.16 57.10 3huy n GLU 78 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 3huy n GLU 78 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3huy s SER 79 N -0.02 5.78 -0.21 -1.84 0.15 -1.26 -2.22 113.70 114.08 3huy s SER 79 Ca 0.00 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 3huy s SER 79 Cb 0.00 -0.94 0.04 0.00 -1.71 0.00 0.00 66.02 63.41 3huy s SER 79 CO 0.00 -0.59 0.21 0.61 1.20 0.00 0.00 173.24 174.67 3huy n GLY 80 N -1.73 -5.12 2.63 9.45 0.00 -1.25 -4.92 105.19 104.25 3huy n GLY 80 Ca 0.04 1.58 -0.02 0.00 0.00 0.00 0.00 46.02 47.62 3huy n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huy n ARG 81 N 1.53 1.37 -0.37 1.61 1.74 -0.57 -4.97 116.66 117.00 3huy n ARG 81 Ca -0.35 -1.61 0.32 0.00 -0.77 0.00 0.00 57.85 55.44 3huy n ARG 81 Cb 0.54 0.07 0.59 0.00 -1.02 0.00 0.00 32.46 32.64 3huy n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3huy h MET 82 N 1.24 0.09 -1.59 5.56 2.86 -1.90 -0.30 114.93 120.90 3huy h MET 82 Ca -0.40 -0.01 0.48 0.00 -2.06 0.00 0.00 59.70 57.72 3huy h MET 82 Cb 1.30 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.85 3huy h MET 82 CO -0.13 0.06 1.10 0.38 1.06 0.00 0.00 176.91 179.39 3huy h ASP 83 N 0.10 0.11 0.23 1.22 2.03 -1.94 1.03 116.42 119.19 3huy h ASP 83 Ca 0.82 0.06 -0.35 0.00 -0.73 0.00 0.00 57.03 56.83 3huy h ASP 83 Cb 2.25 0.06 0.02 0.00 -0.83 0.00 0.00 39.33 40.83 3huy h ASP 83 CO -0.62 -0.08 -1.65 -0.07 -1.03 0.00 0.00 179.24 175.79 3huy h LEU 84 N 0.04 0.70 0.87 0.15 3.38 -1.44 -3.16 115.31 115.85 3huy h LEU 84 Ca 0.84 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3huy h LEU 84 Cb 3.06 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 43.59 3huy h LEU 84 CO -0.19 1.75 -0.42 0.58 0.09 0.00 0.00 178.44 180.25 3huy h VAL 85 N 0.12 0.14 -0.46 1.22 2.07 0.64 -2.43 116.25 117.54 3huy h VAL 85 Ca -0.31 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.24 3huy h VAL 85 Cb 2.13 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3huy h VAL 85 CO 0.22 0.00 -0.27 -0.62 0.02 0.00 0.00 177.57 176.92 3huy n GLU 86 N -5.59 -0.20 -0.11 1.57 1.02 0.22 0.25 120.64 117.80 3huy n GLU 86 Ca -0.16 0.93 -0.07 0.00 -0.02 0.00 0.00 57.16 57.84 3huy n GLU 86 Cb 0.47 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 3huy n GLU 86 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3huy h LYS 87 N 0.00 -0.17 -0.60 3.49 1.79 -1.48 2.78 116.57 122.38 3huy h LYS 87 Ca 0.07 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.64 3huy h LYS 87 Cb 0.19 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 3huy h LYS 87 CO -0.43 -0.11 0.25 -0.92 -1.08 0.00 0.00 179.45 177.16 3huy h TYR 88 N -0.17 0.44 -0.14 -1.35 3.20 -0.16 -1.03 116.97 117.76 3huy h TYR 88 Ca 0.05 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3huy h TYR 88 Cb 0.31 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3huy h TYR 88 CO -0.74 0.14 -0.04 1.25 -1.64 0.00 0.00 178.16 177.13 3huy h LEU 89 N 0.45 0.19 0.32 2.82 6.46 0.58 -3.15 115.31 122.98 3huy h LEU 89 Ca 0.30 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 3huy h LEU 89 Cb 0.33 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 3huy h LEU 89 CO -0.27 0.26 -0.15 0.40 -0.62 0.00 0.00 178.44 178.06 3huy h ILE 90 N 0.20 0.37 -0.76 4.05 1.08 0.61 -3.26 117.51 119.80 3huy h ILE 90 Ca 0.05 -0.78 0.14 0.00 -0.39 0.00 0.00 64.86 63.87 3huy h ILE 90 Cb 0.21 0.60 -0.13 0.00 -3.07 0.00 0.00 36.82 34.42 3huy h ILE 90 CO 0.01 0.09 -0.24 0.54 -0.69 0.00 0.00 178.15 177.86 3huy n ARG 91 N -5.07 -0.12 -0.06 2.37 1.74 -0.68 0.72 116.66 115.56 3huy n ARG 91 Ca -0.07 1.18 -0.09 0.00 -0.77 0.00 0.00 57.85 58.09 3huy n ARG 91 Cb 0.24 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.90 3huy n ARG 91 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3huy h ARG 92 N 0.00 -0.29 -0.36 5.56 2.43 -1.63 -0.24 114.38 119.84 3huy h ARG 92 Ca 0.32 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.58 3huy h ARG 92 Cb 0.51 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 3huy h ARG 92 CO -0.77 -0.19 -0.10 1.96 -1.51 0.00 0.00 179.97 179.36 3huy h GLN 93 N -0.30 -0.01 0.00 0.20 4.20 0.26 0.28 115.11 119.73 3huy h GLN 93 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3huy h GLN 93 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3huy h GLN 93 CO -0.45 -0.01 0.17 0.09 -0.67 0.00 0.00 178.83 177.96 3huy n ASN 94 N -5.30 0.42 -0.01 1.46 3.02 -0.16 -0.72 115.26 113.97 3huy n ASN 94 Ca 0.01 0.64 -0.14 0.00 -0.03 0.00 0.00 54.58 55.06 3huy n ASN 94 Cb 0.21 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 3huy n ASN 94 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3huy h TYR 95 N 0.00 0.93 0.00 3.10 0.05 0.26 -3.01 116.97 118.30 3huy h TYR 95 Ca 0.00 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.39 3huy h TYR 95 Cb 0.34 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3huy h TYR 95 CO 0.00 1.19 0.12 0.39 -1.05 0.00 0.00 178.16 178.82 3huy n GLU 96 N -3.93 0.06 -0.13 4.88 1.02 0.11 0.37 120.64 123.01 3huy n GLU 96 Ca -0.06 0.51 0.08 0.00 -0.02 0.00 0.00 57.16 57.67 3huy n GLU 96 Cb 0.70 -1.82 0.15 0.00 -0.02 0.00 0.00 31.44 30.45 3huy n GLU 96 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3huy n SER 97 N -1.79 2.90 -0.13 1.62 3.41 -1.14 -4.46 113.62 114.03 3huy n SER 97 Ca -0.01 -1.85 -0.17 0.00 -0.26 0.00 0.00 58.87 56.58 3huy n SER 97 Cb 0.14 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3huy n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3huy n LEU 98 N 0.99 2.67 -4.55 1.04 4.77 0.16 -4.98 117.00 117.10 3huy n LEU 98 Ca 0.14 -0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 3huy n LEU 98 Cb 0.47 -0.76 0.24 0.00 -2.33 0.00 0.00 43.42 41.04 3huy n LEU 98 CO 0.11 0.89 0.58 -0.94 -1.33 0.00 0.00 177.39 176.70 3huy s SER 99 N -6.39 0.90 0.00 -1.43 1.04 -1.19 -5.07 113.70 101.56 3huy s SER 99 Ca -0.32 0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.98 3huy s SER 99 Cb 0.09 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.92 3huy s SER 99 CO 0.62 -4.16 0.00 0.29 0.98 0.00 0.00 173.24 170.97 3huy n LYS 100 N -4.82 0.00 0.00 4.02 5.02 -1.26 -5.06 118.16 116.06 3huy n LYS 100 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3huy n LYS 100 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 3huy n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75